(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone

C15H16ClN3O — CID 114670399

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CNc2ccccc21
InChIInChI=1S/C15H16ClN3O/c1-2-7-19-14(12(16)9-18-19)15(20)11-8-17-13-6-4-3-5-10(11)13/h3-6,9,11,17H,2,7-8H2,1H3
InChIKeyMDBPXVQXMZXOAF-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.34
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone (PubChem CID 114670399) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
PubChem CID114670399
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CNc2ccccc21
InChIInChI=1S/C15H16ClN3O/c1-2-7-19-14(12(16)9-18-19)15(20)11-8-17-13-6-4-3-5-10(11)13/h3-6,9,11,17H,2,7-8H2,1H3
InChIKeyMDBPXVQXMZXOAF-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640840
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-propylpyrazol-3-yl)ethanone
CID 116593479
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802
(4-chloro-1-ethylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114640103
(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
(4-chloro-1-propylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 114642014
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669718
(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 114641985
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116594603
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone (CID 114670399) is (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone is CCCn1ncc(Cl)c1C(=O)C1CNc2ccccc21.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
The InChIKey is MDBPXVQXMZXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-7-19-14(12(16)9-18-19)15(20)11-8-17-13-6-4-3-5-10(11)13/h3-6,9,11,17H,2,7-8H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone has a molecular weight of 289.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-indol-3-yl)methanone is sourced from PubChem (CID 114670399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).